General Information of the Compound
| Compound ID |
CP0154317
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| Compound Name |
3-isopropyl-5-{[(1S,2R)-2-(2-morpholin-4-ylethoxy)cyclohexyl]methyl}-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C21H33N5O3
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| Molecular Weight |
403.527
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| Canonical SMILES |
CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1OCCN1CCOCC1)[nH]c2=O
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| InChI |
InChI=1S/C21H33N5O3/c1-14(2)18-19-20(25-24-18)21(27)23-17(22-19)13-15-5-3-4-6-16(15)29-12-9-26-7-10-28-11-8-26/h14-16H,3-13H2,1-2H3,(H,24,25)(H,22,23,27)/t15-,16+/m0/s1
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| InChIKey |
DHNHXAUERSTPRA-JKSUJKDBSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound